甲基三辛基氯化铵 | 5137-55-3

• 物质功能分类: 表面活性剂 - 阳离子表面活性剂 - 季铵盐型
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 甲基三辛基氯化铵
• 中文别名: 三辛基甲基氯化铵；氯化三辛基甲基铵；三辛基甲基氯化鋁；三正辛基甲基氯化铵；甲基三正辛基氯化铵；氯化甲基三辛基铵
• 英文名称: Aliquat 336
• 英文别名: methyltrioctylammonium chloride；trioctylmethylammonium chloride；tricaprylylmethylammonium chloride；tricaprylmethylammonium chloride；methyltri-n-octylammonium chloride；N-methyl-N,N-dioctyloctan-1-aminium chloride；N-methyl-N,N,N-trioctylammonium chloride；tri-n-octylmethylammonium chloride；Aliquot 336；TOMAC；N-methyl-N,N-dioctyloctan-1-ammonium chloride；N-methyl-N,N-dioctyl-1-octanaminium chloride；methyl tricapryl ammonium chloride；aliquate 336；aliquat；Aliquant-336；Adogen 464；Methyl(trioctyl)azanium;chloride
• CAS: 5137-55-3
• 化学式: C₂₅H₅₄N*Cl
• 分子量: 404.163
• InChiKey: XKBGEWXEAPTVCK-UHFFFAOYSA-M

物化性质

• 熔点：
  -20°C
• 沸点：
  240°C
• 密度：
  0.884 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• 溶解度：
  溶于氯仿、己烷
• LogP：
  4.5 at 25℃
• 稳定性/保质期：
  - 常温常压下为稳定且呈前橘黄色的液态。 - 具有一定的刺激性。

计算性质

• 辛醇/水分配系数(LogP)：
  5.52
• 重原子数：
  27
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn
• 安全说明：
  S26,S39,S60,S61
• 危险类别码：
  R22,R50/53,R41,R38
• WGK Germany：
  3
• 海关编码：
  2827101000
• 危险品运输编号：
  UN 2810 6.1/PG 3
• 危险类别：
  6.1
• RTECS号：
  UZ2997500
• 包装等级：
  III
• 危险标志：
  GHS05,GHS06,GHS09
• 危险性描述：
  H301,H315,H318,H410
• 危险性防范说明：
  P273,P280,P301 + P310 + P330,P305 + P351 + P338 + P310,P391,P501
• 储存条件：
  请将药物存放在避光、阴凉干燥处，并密封保存。

SDS

Name:	Aliquat 336 Material Safety Data Sheet
Synonym:	Methyltrioctylammonium chloride, Tricaprylylmethylammonium chloride; n-methyl-n,n-dioctyl-1-octanaminium chlorid
CAS:	5137-55-3

Section 1 - Chemical Product MSDS Name:Aliquat 336 Material Safety Data Sheet
Synonym:Methyltrioctylammonium chloride, Tricaprylylmethylammonium chloride; n-methyl-n,n-dioctyl-1-octanaminium chlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5137-55-3	Methyl tricaprylammonium chloride	85-95	225-896-2

Hazard Symbols: XN
Risk Phrases: 22 36/38 41

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes and skin. Risk of serious damage to eyes.Hygroscopic (absorbs moisture from the air).Toxic.
Potential Health Effects
Eye:
May result in corneal injury. Causes severe eye irritation and possible burns.
Skin:
May cause severe irritation and possible burns.
Ingestion:
Harmful if swallowed. May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns.
Inhalation:
May cause severe respiratory tract irritation and possible burns.
Harmful if inhaled.
Chronic:
Prolonged or repeated skin contact may cause dermatitis.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Antidote: None reported.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. This liquid floats on water and may travel to a source of ignition and spread fire.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Flush area with dilute (5%) acetic acid, and collect rinsate for disposal.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5137-55-3: CAS# 7732-18-5: CAS# 68603-15-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: viscous colorless to pale orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: 1500 mPas 30 deg C
Boiling Point: 225 deg C @ 760.00mm Hg
Freezing/Melting Point: -20 deg C
Autoignition Temperature: Not available.
Flash Point: 132 deg C ( 269.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in benzene, chloroform, isopropa
Specific Gravity/Density: .8840g/cm3
Molecular Formula: C25H54ClN
Molecular Weight: 404.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5137-55-3: BR8575000 CAS# 7732-18-5: ZC0110000 CAS# 68603-15-6: AZ0878000 LD50/LC50:
CAS# 5137-55-3: Draize test, rabbit, skin: 0.5 mL Severe; Oral, mouse: LD50 = 280 mg/kg; Oral, rat: LD50 = 223 mg/kg.
CAS# 7732-18-5: Oral, rat: LD50 = >90 mL/kg.
CAS# 68603-15-6.
Carcinogenicity:
Methyl tricaprylammonium chloride - Not listed by ACGIH, IARC, or NTP.
Water - Not listed by ACGIH, IARC, or NTP.
Alcohols, c6-12 - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/38 Irritating to eyes and skin.
R 41 Risk of serious damage to eyes.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 5137-55-3: 2
CAS# 7732-18-5: No information available.
CAS# 68603-15-6: 1
Canada
CAS# 5137-55-3 is listed on Canada's DSL List.
CAS# 7732-18-5 is listed on Canada's DSL List.
CAS# 68603-15-6 is listed on Canada's DSL List.
CAS# 5137-55-3 is not listed on Canada's Ingredient Disclosure List.
CAS# 7732-18-5 is not listed on Canada's Ingredient Disclosure List.
CAS# 68603-15-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5137-55-3 is listed on the TSCA inventory.
CAS# 7732-18-5 is listed on the TSCA inventory.
CAS# 68603-15-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

甲基三辛基氯化铵，又名三辛基甲基氯化铵，是一种卤化季铵盐。季铵盐是一类阳离子表面活性剂，其中的卤化季铵盐（R1R2R3R4N+X-）系列化合物广泛应用于日用化工、纺织、印染、采矿、沥青、建筑、塑料加工、石油开采及石油化工等领域。

制备

将1000g 三辛胺置于烧杯中，逐滴加入浓盐酸（HCl总量约103g），磁力搅拌。中和反应结束后，在恒温水浴下蒸发除去大约80%的水分，然后真空干燥得到产物三辛基氯化铵。

分别称取1000g 三辛基氯化铵与235g 碳酸二甲酯，依次加入至10L反应釜中。用氮气吹扫赶走釜内空气后，密闭进行反应。设定反应温度为170℃，在达到该温度后开始搅拌，反应持续8小时。反应结束后，可得约1026g 甲基三辛基氯化铵。

用途

C8和C10链混合物中，C8占主体比例较高。这种物质可用作金属提取剂和相转移催化剂。

此外，它还用作相转移试剂。

反应信息

• 作为反应物：
  描述：

  甲基三辛基氯化铵 在 磷酸 作用下， 以 甲苯 为溶剂， 反应 12.0h， 生成 methyltri-n-octylammonium dihydrogenophosphate
  参考文献：
  名称：

  一种催化，环境友好的方法，用于过氧化氢对不饱和萜烯的环氧化

  摘要：

  使用磷酸盐缓冲的过氧化氢和催化量的钨酸盐在无卤化物条件下，将各种不饱和萜烯以良好的收率选择性氧化为相应的环氧化物。相对于系统水相的离子强度，反应对环氧化物的选择性显着提高。

  DOI：

  10.1016/j.tetlet.2006.04.047
• 作为产物：
  描述：

  三辛胺 、 氯甲烷 以 乙腈 为溶剂， 反应 24.0h， 生成 甲基三辛基氯化铵
  参考文献：
  名称：

  イオン液体組成物及びそれを含む溶媒

  摘要：

  提供具有高流动性和高疏水性的离子液体组成物。将离子液体组成物包括至少一种固体有机盐（熔点≥70℃）和至少一种液体有机盐（熔点≤30℃），其中所述固体有机盐和液体有机盐具有相同的阳离子部分或相同的阴离子部分，含水量为1-50质量％，水/正辛烷醇计算分配系数（LogP）≥0.5，粘度在25℃时不超过3Pa·s。

  公开号：

  JP2016166158A
• 作为试剂：
  描述：

  2-氯吡啶 、 α-甲基苯腈 在 potassium tert-butylate 、 甲基三辛基氯化铵 作用下， 反应 1.0h， 以46%的产率得到2-phenyl-2-(pyridin-2-yl)propanenitrile
  参考文献：
  名称：

  Loupy, Andre; Philippon, Noelle; Pigeon, Phillippe, Heterocycles, 1991, vol. 32, # 10, p. 1947 - 1953

  摘要：

  DOI：

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof
  申请人：Bono Francoise

  公开号：US20050176722A1

  公开（公告）日：2005-08-11

  The invention relates to substituted 1-piperazinylacylpiperidine derivatives of general formula (I) in which: n is 1 or 2; p is 1 or 2; R 1 represents a halogen atom; a trifluoromethyl radical; a (C 1 -C 4 )alkyl; a (C 1 -C 4 )alkoxy; a trifluoromethoxy radical; R 2 represents a hydrogen atom or a halogen atom; R 3 represents a hydrogen atom; a group —OR 5 ; a group —CH 2 OR 5 ; a group —NR 6 R 7 ; a group —NR 8 COR 9 ; a group —NR 8 CONR 10 R 11 ; a group —CH 2 NR 12 R 13 ; a group —CH 2 NR 8 CONR 14 R 15 ; a (C 1 -C 4 )alkoxycarbonyl; a group —CONR 16 R 17 ; or else R 3 constitutes a double bond between the carbon atom to which it is attached and the adjacent carbon atom of the piperidine ring; R 4 represents an aromatic group selected from: the said aromatic groups being unsubstituted or being mono- or disubstituted by a substituent selected independently from a halogen atom; a (C 1 -C 4 )alkyl; a (C 1 -C 4 )alkoxy; a trifluoromethyl radical; Preparation process and therapeutic application.

  该发明涉及一般式(I)的取代1-哌嗪基酰基哌啶衍生物，其中：n为1或2；p为1或2；R1代表卤原子；三氟甲基基团；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲氧基基团；R2代表氢原子或卤原子；R3代表氢原子；—OR5基团；—CH2OR5基团；—NR6R7基团；—NR8COR9基团；—NR8CONR10R11基团；—CH2NR12R13基团；—CH2NR8CONR14R15基团；(C1-C4)烷氧羰基；—CONR16R17基团；或者R3构成与其连接的碳原子和哌啶环的相邻碳原子之间的双键；R4代表从中选择的芳香族基：所述芳香族基未取代或者经过单取代或双取代，取代基独立选择自卤原子；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲基基团；制备方法和治疗应用。
• Process for the Synthesis of Aminobiphenylene
  申请人：Heinrich Markus

  公开号：US20130338369A1

  公开（公告）日：2013-12-19

  The present invention relates to a process for the synthesis of 2-aminobiphenylene and derivatives thereof by reacting a benzene diazonium salt with an aniline compound under basic reaction conditions.

  本发明涉及一种通过在碱性反应条件下将苯重氮盐与苯胺化合物反应合成2-氨基联苯及其衍生物的方法。
• 2-pyrrolidinones, pharmaceutical compositions containing these compounds
  申请人：Thomae; Karl

  公开号：US05455348A1

  公开（公告）日：1995-10-03

  The invention relates to cyclic imino derivatives of general formula B--X.sub.5 --X.sub.4 --X.sub.3 --X.sub.2 --X.sub.1 --A--Y--E(I) wherein A, B, E, X.sub.2 to X.sub.5 and Y are defined as in claim 1, the stereoisomers, tautomers, mixtures and salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable pharmacological properties, preferably aggregation-inhibiting effects, pharmaceutical compositions which contain these compounds and processes for preparing them.

  该发明涉及一般式B--X.sub.5 --X.sub.4 --X.sub.3 --X.sub.2 --X.sub.1 --A--Y--E(I)的环状亚胺衍生物，其中A、B、E、X.sub.2到X.sub.5和Y的定义如权利要求1中所述，其立体异构体、互变异构体、混合物和盐，特别是其与无机或有机酸或碱形成的生理上可接受的盐，具有有价值的药理特性，优选具有聚集抑制作用的药物组合物，包含这些化合物的制备方法。
• PROCESS FOR THE REDUCTION OF RfC=CX IMPURITIES IN FLUOROOLEFINS
  申请人：SUN Xuehui

  公开号：US20150259267A1

  公开（公告）日：2015-09-17

  This disclosure relates to processes which involve: contacting a mixture comprising at least one fluoroolefin and at least one R f C≡CX impurity with at least one zeolite to reduce the concentration of the at least one R f C≡CX impurity in the mixture; wherein R f is a straight-chain perfluorinated alkyl group, and X is H, F, Cl, Br or I; and the at least one zeolite is selected from the group consisting of zeolites having pore opening of at least 4 Angstroms and no more than about 5 Angstroms, zeolites having pore opening of at least about 5 Angstroms and Sanderson electronegativity of no more than about 2.6, and mixtures thereof; provided that the at least one zeolite is not zeolite 4A. This disclosure also relates to processes for making at least one hydrotetrafluoropropene product selected from the group consisting of CF 3 CF═CH 2 , CF 3 CH═CHF, and mixtures thereof; and relates to processes for making at least one hydrochlorotrifluoropropene product selected from the group consisting of CF 3 CCl═CH 2 , CF 3 CH═CHCl, and mixtures thereof.

  本公开涉及涉及涉及以下过程：与至少一种氟烯烃和至少一种RfC≡CX杂质组成的混合物接触，以减少混合物中至少一种RfC≡CX杂质的浓度；其中Rf是直链全氟烷基基团，X是H、F、Cl、Br或I；至少一种沸石选自具有至少4埃和不超过约5埃的孔径开口的沸石，具有至少约5埃和桑德森电负性不超过约2.6的孔径开口的沸石，以及它们的混合物；前提是至少一种沸石不是沸石4A。本公开还涉及制备选自CF3CF═CH2、CF3CH═CHF和它们的混合物的至少一种氢四氟丙烯产品的过程；以及涉及制备选自CF3CCl═CH2、CF3CH═CHCl和它们的混合物的至少一种氯三氟丙烯产品的过程。

表征谱图